N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide

C13H17FN2O4 — CID 78913281

IUPACN-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESCC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NC(C)(C)C
InChIInChI=1S/C13H17FN2O4/c1-8(12(17)15-13(2,3)4)20-11-7-9(14)5-6-10(11)16(18)19/h5-8H,1-4H3,(H,15,17)
InChIKeyZOOIKFUDGXQLDN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.42
Rot. Bonds4

About N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide

N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide (PubChem CID 78913281) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
PubChem CID78913281
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
SMILESCC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NC(C)(C)C
InChIInChI=1S/C13H17FN2O4/c1-8(12(17)15-13(2,3)4)20-11-7-9(14)5-6-10(11)16(18)19/h5-8H,1-4H3,(H,15,17)
InChIKeyZOOIKFUDGXQLDN-UHFFFAOYSA-N
XLogP2.42
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
2-(5-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8873422
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522
N-(4-ethylphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 16958827
3-(5-fluoro-2-nitrophenoxy)-2-methylbutan-2-ol
CID 58413251
(2R)-2-(5-fluoro-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 7438408
(2R)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438440
(2S)-N-(4-cyanophenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 7438438
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631758

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
The IUPAC name of N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide (CID 78913281) is N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide.
What is the SMILES notation for N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
The canonical SMILES for N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide is CC(Oc1cc(F)ccc1[N+](=O)[O-])C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
The InChIKey is ZOOIKFUDGXQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-8(12(17)15-13(2,3)4)20-11-7-9(14)5-6-10(11)16(18)19/h5-8H,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide?
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide has a molecular weight of 284.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide is sourced from PubChem (CID 78913281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).